3,5-Dimethylbenzoic acid

HCID 10356

Notes Reactions

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Basic information

CAS: 499-06-9
Standard SMILES: Cc1cc(C)cc(C(=O)O)c1
InChIKey: UMVOQQDNEYOJOK-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Names & identifiers

Preferred name: 3,5-Dimethylbenzoic acid
IUPAC: 3,5-dimethylbenzoic acid
English name: 3,5-Dimethylbenzoic acid
Molecular formula: C9H10O2
Molecular weight: 150.1745

Names & synonyms

3,5-DIMETHYLBENZOIC ACID499-06-9Mesitylenic acidED8AV34N0YNSC-37562DTXSID4060101CHEBI:64821RefChem:91598DTXCID0040755207-876-5Benzoic acid, 3,5-dimethyl-3,5-Dimethylbezoic acid

Show more names

3,5-Dimethyl-benzoic acidMFCD000025253,5-DimethylbenzoicacidEINECS 207-876-5NSC 37562UNII-ED8AV34N0Y3,5-Dimethyl benzoic acidm-Xylene-5-carboxylic Acid

Database identifiers

CAS: 499-06-9
PubChem CID: 10356
DTXSID: DTXSID4060101
ChEMBL: CHEMBL118239
ChEBI: CHEBI:64821
UNII: ED8AV34N0Y
EC Number: 207-876-5
Nikkaji: J6.116F

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.